CMS-MRM and METLIN-MRM: a cloud library and public resource for targeted analysis of small molecules

被引：95

作者：

Domingo-Almenara, Xavier ^{[1
]}

Montenegro-Burke, J. Rafael ^{[1
]}

Ivanisevic, Julijana ^{[2
]}

Thomas, Aurelien ^{[3
,4
]}

Sidibe, Jonathan ^{[3
,4
]}

Teav, Tony ^{[2
]}

Guijas, Carlos ^{[1
]}

Aisporna, Aries E. ^{[1
]}

Rinehart, Duane ^{[1
]}

Hoang, Linh ^{[1
]}

Nordstrom, Anders ^{[5
]}

Gomez-Romero, Maria ^{[6
,7
]}

Whiley, Luke ^{[6
,7
]}

Lewis, Matthew R. ^{[6
,7
]}

Nicholson, Jeremy K. ^{[6
,7
]}

Benton, H. Paul ^{[1
]}

Siuzdak, Gary ^{[1
,8
]}

机构：

[1] Scripps Res Inst, Scripps Ctr Metabol, La Jolla, CA 92037 USA

[2] Univ Lausanne, Fac Biol & Med, Metabol Unit, Lausanne, Switzerland

[3] Lausanne Univ Hosp, Geneva Univ Hosp, Toxicol Unit, CURML, Lausanne, Switzerland

[4] Univ Lausanne, Fac Biol & Med, Lausanne, Switzerland

[5] Umea Univ, Dept Mol Biol, Umea, Sweden

[6] Imperial Coll London, Dept Surg & Canc, MRC NIHR Natl Phenome Ctr, London, England

[7] Imperial Coll London, Dept Surg & Canc, Imperial BRC Clin Phenotyping Ctr, London, England

[8] Scripps Res Inst, Dept Mol & Computat Biol, La Jolla, CA 92037 USA

来源：

NATURE METHODS | 2018年 / 15卷 / 09期

基金：

英国医学研究理事会; 美国国家卫生研究院;

关键词：

MASS-SPECTROMETRY; METABOLOMICS; IDENTIFICATION; PLATFORM; TOOLS;

D O I：

10.1038/s41592-018-0110-3

中图分类号：

Q5 [生物化学];

学科分类号：

071010 ; 081704 ;

摘要：

We report XCMS-MRM and METLIN-MRM (http://xcmsonline-mrm.scripps.edu/ and http://metlin.scripps.edu/), a cloud-based data-analysis platform and a public multiple-reaction monitoring (MRM) transition repository for small-molecule quantitative tandem mass spectrometry. This platform provides MRM transitions for more than 15,500 molecules and facilitates data sharing across different instruments and laboratories.

引用

页码：681 / +

页数：6

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